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5-chloro-4-methyl-2,3-dihydropyridazin-3-one - 97%, high purity , CAS No.104566-45-2
Basic Description
Synonyms
5-chloro-4-methyl-2,3-dihydropyridazin-3-one | 104566-45-2 | 4-chloro-5-methyl-1H-pyridazin-6-one | 5-Chloro-4-methylpyridazin-3(2H)-one | SCHEMBL8544011 | SCHEMBL18791081 | KFYSTBCKLBQPON-UHFFFAOYSA-N | DTXSID301288799 | 4-Methyl-5-chloro-3(2H)pyridazinone | AKOS030239352
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyridazines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridazinones
Alternative Parents
Aryl chlorides Vinylogous halides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridazinone - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridazinones. These are compounds containing a pyridazine ring which bears a ketone.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
4-chloro-5-methyl-1H-pyridazin-6-one
INCHI
InChI=1S/C5H5ClN2O/c1-3-4(6)2-7-8-5(3)9/h2H,1H3,(H,8,9)
InChIKey
KFYSTBCKLBQPON-UHFFFAOYSA-N
Smiles
CC1=C(C=NNC1=O)Cl
Isomeric SMILES
CC1=C(C=NNC1=O)Cl
Molecular Weight
144.56
Reaxy-Rn
13574126
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13574126&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
144.560 g/mol
XLogP3
0.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
144.009 Da
Monoisotopic Mass
144.009 Da
Topological Polar Surface Area
41.500 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
207.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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